Sodium 4-nitrophenoxide

The Sodium 4-nitrophenoxide, with the CAS registry number 824-78-2, is also known as p-Nitrophenolsodium salt. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS number is 212-536-4. This chemical's molecular formula is C₆H₄NNaO₃ and molecular weight is 161.09. What's more, its systematic name is Sodium 4-nitrophenolate. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and strong base. This chemical can be used as intermediates of pesticides manufacture, pharmaceuticals, reagent and dyes.

Physical properties of Sodium 4-nitrophenoxide are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 9.02; (6)ACD/BCF (pH 7.4): 3.70; (7)ACD/KOC (pH 5.5): 167.20; (8)ACD/KOC (pH 7.4): 68.47; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å²; (13)Flash Point: 141.9 °C; (14)Enthalpy of Vaporization: 53.85 kJ/mol; (15)Boiling Point: 279 °C at 760 mmHg; (16)Vapour Pressure: 0.00243 mmHg at 25°C.

Preparation: Nitrochlorobenzene is heated in sodium hydroxide solution. Pressurized to have the reaction of hydrolysis, then the products will got by cooling, crystallization, and centrifugal separating.

Uses of Sodium 4-nitrophenoxide: it can be used to produce by methyl-phosphonic acid bis-(4-nitro-phenyl ester) at the ambient temperature. It will need solvent CH₂Cl₂ with the reaction time of 3 hours. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It has a danger of cumulative effects.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=[N+]([O-])c1ccc([O-])cc1
(2)Std. InChI: InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1
(3)Std. InChIKey: CURNJKLCYZZBNJ-UHFFFAOYSA-M

The toxicity data is as follows: